1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine

C6H10INO — CID 126512896

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine
SMILESINCC1CCC=CO1
InChIInChI=1S/C6H10INO/c7-8-5-6-3-1-2-4-9-6/h2,4,6,8H,1,3,5H2
InChIKeyQRHMQNQETIMMBE-UHFFFAOYSA-N
MW239.06 g/mol
LogP1.62
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine (PubChem CID 126512896) has the molecular formula C6H10INO and a molecular weight of 239.06 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine
PubChem CID126512896
Molecular FormulaC6H10INO
Molecular Weight239.06 g/mol
Exact Mass238.98
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine
SMILESINCC1CCC=CO1
InChIInChI=1S/C6H10INO/c7-8-5-6-3-1-2-4-9-6/h2,4,6,8H,1,3,5H2
InChIKeyQRHMQNQETIMMBE-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine (CID 126512896) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine is INCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine?
The InChIKey is QRHMQNQETIMMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO/c7-8-5-6-3-1-2-4-9-6/h2,4,6,8H,1,3,5H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine has a molecular weight of 239.06 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-yl)-N-iodomethanamine is sourced from PubChem (CID 126512896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).